(2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane

C38H70O3 — CID 67804950

IUPAC(2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane
SMILESCCCCCCCC=C[C@H]1CCC(C)(C)[C@H](OC)[C@H]1COC[C@@H]1[C@@H](OC)C(C)(C)CC[C@@H]1C=CCCCCCCC
InChIInChI=1S/C38H70O3/c1-9-11-13-15-17-19-21-23-31-25-27-37(3,4)35(39-7)33(31)29-41-30-34-32(24-22-20-18-16-14-12-10-2)26-28-38(5,6)36(34)40-8/h21-24,31-36H,9-20,25-30H2,1-8H3/t31-,32-,33-,34-,35+,36+/m0/s1
InChIKeyGKQRNJPZOSSNOR-GFWDPPTMSA-N
MW574.98 g/mol
LogP10.97
Rot. Bonds20

About (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane

(2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane (PubChem CID 67804950) has the molecular formula C38H70O3 and a molecular weight of 574.98 g/mol. Its IUPAC name is (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane.

Molecular Properties

Compound Name(2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane
PubChem CID67804950
Molecular FormulaC38H70O3
Molecular Weight574.98 g/mol
Exact Mass574.53
IUPAC Name(2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane
SMILESCCCCCCCC=C[C@H]1CCC(C)(C)[C@H](OC)[C@H]1COC[C@@H]1[C@@H](OC)C(C)(C)CC[C@@H]1C=CCCCCCCC
InChIInChI=1S/C38H70O3/c1-9-11-13-15-17-19-21-23-31-25-27-37(3,4)35(39-7)33(31)29-41-30-34-32(24-22-20-18-16-14-12-10-2)26-28-38(5,6)36(34)40-8/h21-24,31-36H,9-20,25-30H2,1-8H3/t31-,32-,33-,34-,35+,36+/m0/s1
InChIKeyGKQRNJPZOSSNOR-GFWDPPTMSA-N
XLogP10.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.98
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R,6S)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethylbenzene
CID 57274536
(2-ethoxy-3,3-dimethyl-6-non-1-enylcyclohexyl)methanol
CID 67672202
[(1R,2R,6R)-2-ethoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methanol
CID 67805238
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
non-1-enylcyclopentane
CID 86065492
cis-(2S,3R)-2-iodo-1-methyl-3-[(E)-oct-1-enyl]cyclopentane
CID 163432728
carbonic acid;1,1-dimethyl-2-non-1-enylcyclopropane
CID 70519875
cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol
CID 72704279
1-undec-4-enoxyundec-4-ene
CID 91358832
(3S,4S,5S,8S)-8-[(E)-hept-1-enyl]-4-methoxy-5-methyl-1,7-dioxaspiro[2.5]octane
CID 22855992

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane?
The IUPAC name of (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane (CID 67804950) is (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane.
What is the SMILES notation for (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane?
The canonical SMILES for (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane is CCCCCCCC=C[C@H]1CCC(C)(C)[C@H](OC)[C@H]1COC[C@@H]1[C@@H](OC)C(C)(C)CC[C@@H]1C=CCCCCCCC.
What is the InChIKey of (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane?
The InChIKey is GKQRNJPZOSSNOR-GFWDPPTMSA-N. The full InChI is InChI=1S/C38H70O3/c1-9-11-13-15-17-19-21-23-31-25-27-37(3,4)35(39-7)33(31)29-41-30-34-32(24-22-20-18-16-14-12-10-2)26-28-38(5,6)36(34)40-8/h21-24,31-36H,9-20,25-30H2,1-8H3/t31-,32-,33-,34-,35+,36+/m0/s1.
What are the key properties of (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane?
(2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane has a molecular weight of 574.98 g/mol, XLogP of 10.97, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-methoxy-3-[[(1R,2R,6R)-2-methoxy-3,3-dimethyl-6-non-1-enylcyclohexyl]methoxymethyl]-1,1-dimethyl-4-non-1-enylcyclohexane is sourced from PubChem (CID 67804950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).