[(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol

C15H24O — CID 163098594

IUPAC[(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol
SMILESCC1=C2CCC(CO)=C[C@H]2[C@H](C(C)C)CC1
InChIInChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h8,10,13,15-16H,4-7,9H2,1-3H3/t13-,15-/m0/s1
InChIKeyPSCGCYQLAZATGE-ZFWWWQNUSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds2

About [(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol

[(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol (PubChem CID 163098594) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol
PubChem CID163098594
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol
SMILESCC1=C2CCC(CO)=C[C@H]2[C@H](C(C)C)CC1
InChIInChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h8,10,13,15-16H,4-7,9H2,1-3H3/t13-,15-/m0/s1
InChIKeyPSCGCYQLAZATGE-ZFWWWQNUSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol?
The IUPAC name of [(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol (CID 163098594) is [(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol.
What is the SMILES notation for [(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol?
The canonical SMILES for [(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol is CC1=C2CCC(CO)=C[C@H]2[C@H](C(C)C)CC1.
What is the InChIKey of [(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol?
The InChIKey is PSCGCYQLAZATGE-ZFWWWQNUSA-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/h8,10,13,15-16H,4-7,9H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of [(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol?
[(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S,8aR)-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 163098594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).