[(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol

C15H24O — CID 14845385

IUPAC[(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol
SMILESCC1=CC[C@@H](C(C)C)[C@@H]2C=C(CO)CC[C@H]12
InChIInChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8,10,13-16H,5-7,9H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeyDFIKBBWSGFHYMP-ZNMIVQPWSA-N
MW220.36 g/mol
LogP3.55
Rot. Bonds2

About [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol

[(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol (PubChem CID 14845385) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol
PubChem CID14845385
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol
SMILESCC1=CC[C@@H](C(C)C)[C@@H]2C=C(CO)CC[C@H]12
InChIInChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8,10,13-16H,5-7,9H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeyDFIKBBWSGFHYMP-ZNMIVQPWSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Perillyl Alcohol
CID 10819
(+-)-Myrtenol
CID 10582
Perilla alcohol
CID 369312
Verbenol
CID 61126
Menthadienol
CID 527143
(+)-Perillyl alcohol
CID 11788398
Vetiverol
CID 101549
p-Menth-1-en-3-ol
CID 10282
p-MENTH-1-EN-9-OL
CID 86753
beta-Nootkatol
CID 182645
cis-Piperitol
CID 85567
Verbenol, (S)-cis-
CID 87839

Frequently Asked Questions

What is the IUPAC name of [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol?
The IUPAC name of [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol (CID 14845385) is [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol.
What is the SMILES notation for [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol?
The canonical SMILES for [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol is CC1=CC[C@@H](C(C)C)[C@@H]2C=C(CO)CC[C@H]12.
What is the InChIKey of [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol?
The InChIKey is DFIKBBWSGFHYMP-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8,10,13-16H,5-7,9H2,1-3H3/t13-,14+,15-/m0/s1.
What are the key properties of [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol?
[(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol has a molecular weight of 220.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 14845385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).