(4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene

C24H42O2 — CID 59987645

IUPAC(4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene
SMILESC=CCC(C)C[C@@H]1[C@@H](C(C)C)CC=C(C)[C@@H]1C[C@H](C)[C@H](C=C)OCOC
InChIInChI=1S/C24H42O2/c1-9-11-18(5)14-23-21(17(3)4)13-12-19(6)22(23)15-20(7)24(10-2)26-16-25-8/h9-10,12,17-18,20-24H,1-2,11,13-16H2,3-8H3/t18?,20-,21+,22-,23+,24-/m0/s1
InChIKeyZUWHUGPOHJPDDR-DXPZXNCXSA-N
MW362.60 g/mol
LogP6.64
Rot. Bonds12

About (4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene

(4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene (PubChem CID 59987645) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is (4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene
PubChem CID59987645
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name(4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene
SMILESC=CCC(C)C[C@@H]1[C@@H](C(C)C)CC=C(C)[C@@H]1C[C@H](C)[C@H](C=C)OCOC
InChIInChI=1S/C24H42O2/c1-9-11-18(5)14-23-21(17(3)4)13-12-19(6)22(23)15-20(7)24(10-2)26-16-25-8/h9-10,12,17-18,20-24H,1-2,11,13-16H2,3-8H3/t18?,20-,21+,22-,23+,24-/m0/s1
InChIKeyZUWHUGPOHJPDDR-DXPZXNCXSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,3aR,6E,10E,11aS)-2-methoxy-3,6,10-trimethyl-2-[(E)-3-methylbut-1-enyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan
CID 163041476
(5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
CID 11097203
(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
CID 11832053
(2R,3S,4R,6R)-2-ethenyl-3-ethyl-4-(methoxymethoxy)-6-[(E,2S,3R,4S)-3-methoxy-4-methyloct-6-en-2-yl]oxane
CID 46855104
Cyclohexene, 4-isopropenyl-1-methoxymethoxymethyl-
CID 542456
3,7-Dimethylocta-1,6-dien-3-yl (3-methyl-3-propan-2-ylcyclohexyl) carbonate
CID 19433704
6-(3,3-Diethoxybutyl)-1,5,5-trimethylcyclohexene
CID 19780774
4-Methyl-2-[3-(4-methylcyclohex-3-en-1-yl)but-1-en-2-yl]-1,3-dioxane
CID 22924793
(4-Tert-butylcyclohexyl) 3,7-dimethylocta-2,6-dienyl carbonate
CID 54526917
(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene
CID 59026961
4-Butoxy-5,6-dimethyl-3-(3-methylpent-4-enyl)cyclohex-2-en-1-olate
CID 59271432
5-Pentadecyl-3-[(3-pentadecylcyclohexyl)oxymethoxy]cyclohexene
CID 59639999

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene?
The IUPAC name of (4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene (CID 59987645) is (4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene.
What is the SMILES notation for (4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene?
The canonical SMILES for (4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene is C=CCC(C)C[C@@H]1[C@@H](C(C)C)CC=C(C)[C@@H]1C[C@H](C)[C@H](C=C)OCOC.
What is the InChIKey of (4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene?
The InChIKey is ZUWHUGPOHJPDDR-DXPZXNCXSA-N. The full InChI is InChI=1S/C24H42O2/c1-9-11-18(5)14-23-21(17(3)4)13-12-19(6)22(23)15-20(7)24(10-2)26-16-25-8/h9-10,12,17-18,20-24H,1-2,11,13-16H2,3-8H3/t18?,20-,21+,22-,23+,24-/m0/s1.
What are the key properties of (4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene?
(4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene has a molecular weight of 362.60 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-6-[(2S,3S)-3-(methoxymethoxy)-2-methylpent-4-enyl]-1-methyl-5-(2-methylpent-4-enyl)-4-propan-2-ylcyclohexene is sourced from PubChem (CID 59987645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).