4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol

C20H30O2 — CID 162896368

IUPAC4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
SMILESC=C1C(O)CC2C(C)(C)CCCC2(C)C1Cc1occc1C
InChIInChI=1S/C20H30O2/c1-13-7-10-22-17(13)11-15-14(2)16(21)12-18-19(3,4)8-6-9-20(15,18)5/h7,10,15-16,18,21H,2,6,8-9,11-12H2,1,3-5H3
InChIKeyRHGPNSHMEJUHGA-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.90
Rot. Bonds2

About 4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol

4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol (PubChem CID 162896368) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
PubChem CID162896368
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
SMILESC=C1C(O)CC2C(C)(C)CCCC2(C)C1Cc1occc1C
InChIInChI=1S/C20H30O2/c1-13-7-10-22-17(13)11-15-14(2)16(21)12-18-19(3,4)8-6-9-20(15,18)5/h7,10,15-16,18,21H,2,6,8-9,11-12H2,1,3-5H3
InChIKeyRHGPNSHMEJUHGA-UHFFFAOYSA-N
XLogP4.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(furan-3-yl)ethyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
CID 74333098
4-[(1R,3R,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]butan-2-one
CID 162878409
(2S,4R,4aS,8aR)-4a,8,8-trimethyl-3-methylidene-4-[(2E)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
CID 163095284
3-[2-(3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]oxolan-2-one
CID 75022103
2-[2-(3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethyl]but-2-ene-1,4-diol
CID 162916486
methyl (3S)-5-[(1R,3R,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate
CID 163022787
[2-[2-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethyl]furan-3-yl]methyl acetate
CID 163067392
2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115693333
(1S,4aS,5R,7S,8aR)-5-(carboxymethyl)-7-hydroxy-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 163091945
2-(cyclopropylmethyl)-3-methylfuran
CID 54330779
(7R)-2,2,6-trimethylbicyclo[4.2.0]octan-7-ol
CID 89331828
N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103753029

Frequently Asked Questions

What is the IUPAC name of 4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of 4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol (CID 162896368) is 4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for 4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol is C=C1C(O)CC2C(C)(C)CCCC2(C)C1Cc1occc1C.
What is the InChIKey of 4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol?
The InChIKey is RHGPNSHMEJUHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-13-7-10-22-17(13)11-15-14(2)16(21)12-18-19(3,4)8-6-9-20(15,18)5/h7,10,15-16,18,21H,2,6,8-9,11-12H2,1,3-5H3.
What are the key properties of 4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol?
4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol has a molecular weight of 302.46 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8,8-trimethyl-4-[(3-methylfuran-2-yl)methyl]-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 162896368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).