[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol

C12H20O — CID 6974562

IUPAC[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
SMILESOCC12CC3C[C@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C12H20O/c13-8-12-5-9-1-2-10(6-12)4-11(3-9)7-12/h9-11,13H,1-8H2/t9-,10-,11?,12?/m0/s1
InChIKeyRKLUIOPJNMECGK-JYBOHDQNSA-N
MW180.29 g/mol
LogP2.59
Rot. Bonds1

About [(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol

[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol (PubChem CID 6974562) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is [(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol.

Molecular Properties

Compound Name[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
PubChem CID6974562
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
SMILESOCC12CC3C[C@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C12H20O/c13-8-12-5-9-1-2-10(6-12)4-11(3-9)7-12/h9-11,13H,1-8H2/t9-,10-,11?,12?/m0/s1
InChIKeyRKLUIOPJNMECGK-JYBOHDQNSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 141053946
1-(hydroxymethyl)bicyclo[4.1.1]octan-3-ol
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[5-(hydroxymethyl)-2-adamantyl]methanol
CID 123735140
2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol
CID 853564
1-adamantylmethyl(2-hydroxyethyl)azanium
CID 6999705
N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 23308521
1-(1-adamantyl)propan-2-ol
CID 5154050
N-ethyl-N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)ethanamine;hydrochloride
CID 2836011
N-(1-tricyclo[4.3.1.13,8]undecanylmethyl)cyclohexanamine
CID 3945778
CID 174148306
CID 174148306
adamantan-1-ol;azane
CID 66728775
2-(1-adamantyl)acetic acid;2-(1-adamantyl)acetyl chloride
CID 160909108

Frequently Asked Questions

What is the IUPAC name of [(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol?
The IUPAC name of [(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol (CID 6974562) is [(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol.
What is the SMILES notation for [(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol?
The canonical SMILES for [(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol is OCC12CC3C[C@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of [(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol?
The InChIKey is RKLUIOPJNMECGK-JYBOHDQNSA-N. The full InChI is InChI=1S/C12H20O/c13-8-12-5-9-1-2-10(6-12)4-11(3-9)7-12/h9-11,13H,1-8H2/t9-,10-,11?,12?/m0/s1.
What are the key properties of [(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol?
[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol has a molecular weight of 180.29 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol is sourced from PubChem (CID 6974562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).