(S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol

C16H26O2 — CID 124819183

IUPAC(S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol
SMILESC[C@@H]1CC=CC[C@@H]1[C@H](O)[C@@]1(CO)CC=CC[C@H]1C
InChIInChI=1S/C16H26O2/c1-12-7-3-4-9-14(12)15(18)16(11-17)10-6-5-8-13(16)2/h3-6,12-15,17-18H,7-11H2,1-2H3/t12-,13-,14+,15+,16-/m1/s1
InChIKeyDYORTRUMFAYXEK-RBGFHDKUSA-N
MW250.38 g/mol
LogP2.91
Rot. Bonds3

About (S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol

(S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol (PubChem CID 124819183) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name(S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol
PubChem CID124819183
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol
SMILESC[C@@H]1CC=CC[C@@H]1[C@H](O)[C@@]1(CO)CC=CC[C@H]1C
InChIInChI=1S/C16H26O2/c1-12-7-3-4-9-14(12)15(18)16(11-17)10-6-5-8-13(16)2/h3-6,12-15,17-18H,7-11H2,1-2H3/t12-,13-,14+,15+,16-/m1/s1
InChIKeyDYORTRUMFAYXEK-RBGFHDKUSA-N
XLogP2.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-[(1R,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol
CID 124819181
(5S)-4,4,5-trimethylcyclohexene
CID 123287242
1-[(1R,6S)-1-chloro-6-methylcyclohex-3-en-1-yl]ethanone
CID 131018953
(2S)-3-methyl-2-[(1S,6R)-6-methylcyclohex-3-en-1-yl]butan-1-amine
CID 163545589
(1R,6S)-1-methyl-6-propan-2-ylcyclohex-3-en-1-ol
CID 129013708
1-(2-methylcyclohexyl)ethane-1,2-diol
CID 57009721
5-chloro-2-methyl-6-[2-[(1S,6S)-6-methylcyclohex-3-en-1-yl]propyl]-1,2-dihydropyrimidine
CID 163966358
4-[(1S)-1-[(6R)-6-methylcyclohex-3-en-1-yl]ethyl]cyclohexan-1-amine
CID 70810820
[6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
CID 139896226
(4S)-3,3,4-trimethylcyclopentene
CID 148718226
5-methylcyclopent-2-en-1-ol
CID 23103323
2-(6-methylcyclohex-3-en-1-yl)oxyethanol
CID 145357109

Frequently Asked Questions

What is the IUPAC name of (S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol?
The IUPAC name of (S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol (CID 124819183) is (S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for (S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for (S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol is C[C@@H]1CC=CC[C@@H]1[C@H](O)[C@@]1(CO)CC=CC[C@H]1C.
What is the InChIKey of (S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol?
The InChIKey is DYORTRUMFAYXEK-RBGFHDKUSA-N. The full InChI is InChI=1S/C16H26O2/c1-12-7-3-4-9-14(12)15(18)16(11-17)10-6-5-8-13(16)2/h3-6,12-15,17-18H,7-11H2,1-2H3/t12-,13-,14+,15+,16-/m1/s1.
What are the key properties of (S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol?
(S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol has a molecular weight of 250.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(1S,6R)-1-(hydroxymethyl)-6-methylcyclohex-3-en-1-yl]-[(1S,6R)-6-methylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 124819183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).