(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol

C10H18O — CID 171591004

IUPAC(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
SMILESCC1(C)[C@@H]2C[C@@](C)(O)CC[C@@H]21
InChIInChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3/t7-,8+,10-/m0/s1
InChIKeyZOKKRMIFZVQTTP-XKSSXDPKSA-N
MW154.25 g/mol
LogP2.19
Rot. Bonds

About (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol

(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (PubChem CID 171591004) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
PubChem CID171591004
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
SMILESCC1(C)[C@@H]2C[C@@](C)(O)CC[C@@H]21
InChIInChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3/t7-,8+,10-/m0/s1
InChIKeyZOKKRMIFZVQTTP-XKSSXDPKSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 155663554
(1S,3R,4S,6R)-3,4,7,7-tetramethylbicyclo[4.1.0]heptane-3,4-diol
CID 23268227
cis-(3S,4R)-3,4-diamino-1-methylcyclohexan-1-ol
CID 55285612
CID 59138017
CID 59138017
trans-(1R,4S)-1,3-dimethylcyclohexane-1,4-diol
CID 102278367
(1R,3R,4R)-4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,3-diol
CID 86333734
1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13,17-trimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 139408330
1-[(3R,5R,9R,10S,13S,14S,17R)-3,17-dihydroxy-3,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 147188192
4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol
CID 18427141
(3R,5S,8R,9R,10S,13S,14S,17S)-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 153422632
(1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 125475535
(1S,3S,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 125475532

Frequently Asked Questions

What is the IUPAC name of (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The IUPAC name of (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol (CID 171591004) is (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is CC1(C)[C@@H]2C[C@@](C)(O)CC[C@@H]21.
What is the InChIKey of (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
The InChIKey is ZOKKRMIFZVQTTP-XKSSXDPKSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3/t7-,8+,10-/m0/s1.
What are the key properties of (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol?
(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 171591004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).