(1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol

C14H26O3 — CID 102244272

IUPAC(1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol
SMILESCCOCO[C@@H]1CCCC=C1[C@@H](O)C(C)(C)C
InChIInChI=1S/C14H26O3/c1-5-16-10-17-12-9-7-6-8-11(12)13(15)14(2,3)4/h8,12-13,15H,5-7,9-10H2,1-4H3/t12-,13-/m1/s1
InChIKeyQQPIWSCNDVOLQV-CHWSQXEVSA-N
MW242.36 g/mol
LogP2.88
Rot. Bonds5

About (1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol

(1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol (PubChem CID 102244272) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol
PubChem CID102244272
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol
SMILESCCOCO[C@@H]1CCCC=C1[C@@H](O)C(C)(C)C
InChIInChI=1S/C14H26O3/c1-5-16-10-17-12-9-7-6-8-11(12)13(15)14(2,3)4/h8,12-13,15H,5-7,9-10H2,1-4H3/t12-,13-/m1/s1
InChIKeyQQPIWSCNDVOLQV-CHWSQXEVSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-(ethoxymethoxy)-1-[(6S)-6-(ethoxymethoxy)cyclohexen-1-yl]cyclohexene
CID 10638715
(1R,4aS)-1-(ethoxymethoxy)-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 11447153
(6R)-1-ethenyl-6-(methoxymethoxy)cyclohexene
CID 100956688
ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate
CID 174744606
[2-(ethoxymethyl)cyclohex-2-en-1-yl] 2-methylprop-2-enoate
CID 174356629
(6-ethoxycyclohexen-1-yl)benzene
CID 13170090
ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate
CID 101358283
1-(cycloocten-1-yl)-4-ethoxybutan-1-ol
CID 106657695
6-(methoxymethoxy)-1-nitrocyclohexene
CID 542393
1-(2,2-dimethylpropyl)-7-hydroperoxycycloheptene
CID 10465344
2-(2-methylbutan-2-yl)cyclohex-2-en-1-ol
CID 129019519
[2-(ethoxymethoxy)cyclopentyl]methanamine
CID 106938405

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of (1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol (CID 102244272) is (1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for (1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol is CCOCO[C@@H]1CCCC=C1[C@@H](O)C(C)(C)C.
What is the InChIKey of (1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is QQPIWSCNDVOLQV-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H26O3/c1-5-16-10-17-12-9-7-6-8-11(12)13(15)14(2,3)4/h8,12-13,15H,5-7,9-10H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of (1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol?
(1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(6R)-6-(ethoxymethoxy)cyclohexen-1-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 102244272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).