(2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

C16H30O — CID 18603399

IUPAC(2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESCCC[C@H]1CCC2C[C@@](O)(CCC)CC[C@H]2C1
InChIInChI=1S/C16H30O/c1-3-5-13-6-7-15-12-16(17,9-4-2)10-8-14(15)11-13/h13-15,17H,3-12H2,1-2H3/t13-,14-,15?,16+/m0/s1
InChIKeyFBDHPALEFVVXAT-FCMBSTCGSA-N
MW238.41 g/mol
LogP4.53
Rot. Bonds4

About (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

(2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (PubChem CID 18603399) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
PubChem CID18603399
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESCCC[C@H]1CCC2C[C@@](O)(CCC)CC[C@H]2C1
InChIInChI=1S/C16H30O/c1-3-5-13-6-7-15-12-16(17,9-4-2)10-8-14(15)11-13/h13-15,17H,3-12H2,1-2H3/t13-,14-,15?,16+/m0/s1
InChIKeyFBDHPALEFVVXAT-FCMBSTCGSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

Analyze (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol with MolForge

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Related Compounds

3-propylbicyclo[4.2.0]octane
CID 145186098
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
(2R,4aR,6R)-2-heptyl-6-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 56638128
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
(2S,4aR,6S)-2,6-dipentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 18603412
1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol
CID 18364504
(2S,4aR,6S)-2-heptyl-6-pentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 18603436
(2S,4aR,6S)-6-hexyl-2-pentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 18603464
(2R,4aR)-2-hexyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54489022
2-ethyl-6-pentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 23311892
6-heptyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 23311793
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570

Frequently Asked Questions

What is the IUPAC name of (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The IUPAC name of (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (CID 18603399) is (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The canonical SMILES for (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is CCC[C@H]1CCC2C[C@@](O)(CCC)CC[C@H]2C1.
What is the InChIKey of (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The InChIKey is FBDHPALEFVVXAT-FCMBSTCGSA-N. The full InChI is InChI=1S/C16H30O/c1-3-5-13-6-7-15-12-16(17,9-4-2)10-8-14(15)11-13/h13-15,17H,3-12H2,1-2H3/t13-,14-,15?,16+/m0/s1.
What are the key properties of (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
(2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol has a molecular weight of 238.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,6S)-2,6-dipropyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 18603399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).