6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

C16H30O — CID 139846520

IUPAC6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESCCCCCCC1CCC2CC(O)CCC2C1
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-13-7-8-15-12-16(17)10-9-14(15)11-13/h13-17H,2-12H2,1H3
InChIKeyKCMMFOPWVDMGLK-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.53
Rot. Bonds5

About 6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (PubChem CID 139846520) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
PubChem CID139846520
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESCCCCCCC1CCC2CC(O)CCC2C1
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-13-7-8-15-12-16(17)10-9-14(15)11-13/h13-17H,2-12H2,1H3
InChIKeyKCMMFOPWVDMGLK-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-ol
CID 13480019
3-tridecylcyclopentan-1-ol
CID 67606099
(2R,4aR)-2-hexyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54489022
(6R,8aR)-2-butyl-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54310090
3-heptylcyclohexan-1-ol
CID 64515801
2,7-dipentyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 13412906
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
trans-(1R,3R)-1-heptyl-3-(4-propylcyclohexyl)cyclohexane
CID 18640305
1-[4-[(2R,4aR,6S,8aR)-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]cyclohexyl]ethanone
CID 171478133
1-[4-[(2R,4aS,6S,8aR)-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]cyclohexyl]propan-1-one
CID 56627518

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The IUPAC name of 6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (CID 139846520) is 6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.
What is the SMILES notation for 6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The canonical SMILES for 6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is CCCCCCC1CCC2CC(O)CCC2C1.
What is the InChIKey of 6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The InChIKey is KCMMFOPWVDMGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-4-5-6-13-7-8-15-12-16(17)10-9-14(15)11-13/h13-17H,2-12H2,1H3.
What are the key properties of 6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol has a molecular weight of 238.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is sourced from PubChem (CID 139846520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).