4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol

C18H32O — CID 163068598

IUPAC4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol
SMILESCC1=C(CCCCO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1
InChIInChI=1S/C18H32O/c1-14-9-10-16-17(2,3)11-7-12-18(16,4)15(14)8-5-6-13-19/h16,19H,5-13H2,1-4H3/t16-,18-/m1/s1
InChIKeyFNSKSLNGIWWXGL-SJLPKXTDSA-N
MW264.45 g/mol
LogP5.09
Rot. Bonds4

About 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol

4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol (PubChem CID 163068598) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol
PubChem CID163068598
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol
SMILESCC1=C(CCCCO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1
InChIInChI=1S/C18H32O/c1-14-9-10-16-17(2,3)11-7-12-18(16,4)15(14)8-5-6-13-19/h16,19H,5-13H2,1-4H3/t16-,18-/m1/s1
InChIKeyFNSKSLNGIWWXGL-SJLPKXTDSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

Abietinol
CID 443474
(1R,4aR,4bS,10aR)-1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenemethanol
CID 21117614
(-)-Drimenol
CID 3080551
1-Phenanthrenemethanol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, (1R,4aR,4bS,7S,10aR)-
CID 15586712
Levopimaradienol
CID 443475
Neoabietinol
CID 443476
Camelliol A
CID 6451135
((1R,4aR,7S,8aS,10aS)-1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl)methanol
CID 14239481
Camelliol B
CID 6476389
1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-
CID 101602
(2,5,5,8a-Tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methanol
CID 298071
((1R,4aR,4bS,7R,10aR)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)methanol
CID 12314283

Frequently Asked Questions

What is the IUPAC name of 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol?
The IUPAC name of 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol (CID 163068598) is 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol.
What is the SMILES notation for 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol?
The canonical SMILES for 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol is CC1=C(CCCCO)[C@@]2(C)CCCC(C)(C)[C@H]2CC1.
What is the InChIKey of 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol?
The InChIKey is FNSKSLNGIWWXGL-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H32O/c1-14-9-10-16-17(2,3)11-7-12-18(16,4)15(14)8-5-6-13-19/h16,19H,5-13H2,1-4H3/t16-,18-/m1/s1.
What are the key properties of 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol?
4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol has a molecular weight of 264.45 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aR,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]butan-1-ol is sourced from PubChem (CID 163068598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).