[(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol

C14H26O — CID 142805256

IUPAC[(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol
SMILESCC1CCCC2(C)C1CC[C@H](C)C2CO
InChIInChI=1S/C14H26O/c1-10-5-4-8-14(3)12(10)7-6-11(2)13(14)9-15/h10-13,15H,4-9H2,1-3H3/t10?,11-,12?,13?,14?/m0/s1
InChIKeyDQIQPZSSHRVYOY-VJGVLAAASA-N
MW210.36 g/mol
LogP3.47
Rot. Bonds1

About [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol

[(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol (PubChem CID 142805256) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol
PubChem CID142805256
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name[(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol
SMILESCC1CCCC2(C)C1CC[C@H](C)C2CO
InChIInChI=1S/C14H26O/c1-10-5-4-8-14(3)12(10)7-6-11(2)13(14)9-15/h10-13,15H,4-9H2,1-3H3/t10?,11-,12?,13?,14?/m0/s1
InChIKeyDQIQPZSSHRVYOY-VJGVLAAASA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol with MolForge

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Related Compounds

(1-methyl-6-bicyclo[3.1.0]hexanyl)methanol
CID 67940107
(1S,3aS,4S,7aR)-1,4,7a-trimethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 59130187
(2S)-2-[(1R,4S,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
CID 59043396
(5R)-5-[(1R,3aS,4S,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexan-1-ol
CID 58987876
(4aR,4bS,7R,8R,8aR,10aR)-8-(hydroxymethyl)-4a,7,8a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthren-1-one
CID 10684025
(2S)-2-[(4S,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal
CID 59885325
methyl (4R)-4-[(1R,3aS,4S,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pentanoate
CID 71100147
(E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol
CID 142882338
(4aS,4bS,7R,8aS,10aS)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene
CID 100977017
(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 154525596
5b,8,11a-trimethyl-2,3,3a,4,5,5a,6,7,7a,8,9,10,11,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene
CID 144917568
(2E,4E)-5-[(4aS,5R)-1,4a-dimethyl-1,2,3,4,5,6,7,8,9,9a-decahydrobenzo[7]annulen-5-yl]-3-methylpenta-2,4-dien-1-ol
CID 142805273

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol?
The IUPAC name of [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol (CID 142805256) is [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol.
What is the SMILES notation for [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol?
The canonical SMILES for [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol is CC1CCCC2(C)C1CC[C@H](C)C2CO.
What is the InChIKey of [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol?
The InChIKey is DQIQPZSSHRVYOY-VJGVLAAASA-N. The full InChI is InChI=1S/C14H26O/c1-10-5-4-8-14(3)12(10)7-6-11(2)13(14)9-15/h10-13,15H,4-9H2,1-3H3/t10?,11-,12?,13?,14?/m0/s1.
What are the key properties of [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol?
[(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol has a molecular weight of 210.36 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,5,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]methanol is sourced from PubChem (CID 142805256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).