(1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol

C14H24O — CID 53360806

IUPAC(1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol
SMILESCC(C)=CCC[C@H](C)[C@@]12CC[C@@H](O)[C@@H]1C2
InChIInChI=1S/C14H24O/c1-10(2)5-4-6-11(3)14-8-7-13(15)12(14)9-14/h5,11-13,15H,4,6-9H2,1-3H3/t11-,12-,13+,14-/m0/s1
InChIKeyYIWJDNVSSUOLEU-FQUUOJAGSA-N
MW208.34 g/mol
LogP3.53
Rot. Bonds4

About (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol

(1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol (PubChem CID 53360806) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol
PubChem CID53360806
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol
SMILESCC(C)=CCC[C@H](C)[C@@]12CC[C@@H](O)[C@@H]1C2
InChIInChI=1S/C14H24O/c1-10(2)5-4-6-11(3)14-8-7-13(15)12(14)9-14/h5,11-13,15H,4,6-9H2,1-3H3/t11-,12-,13+,14-/m0/s1
InChIKeyYIWJDNVSSUOLEU-FQUUOJAGSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol with MolForge

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Related Compounds

Sabinol
CID 94147
Sandalore
CID 103212
Sesquisabinene hydrate
CID 20055539
cis-Sesquisabinene hydrate
CID 91666343
2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
CID 166894
1,7-Dimethyl-7-(4-methylpent-3-enyl)bicyclo(2.2.1)heptan-2-ol
CID 5315645
4(10)-Thujen-3-ol, (1S,3R,5S)-(+)-
CID 564260
trans-Sesquisabinene hydrate
CID 6428444
(-)-cis-Sabinol
CID 42626427
2-Hydroxytrichodiene
CID 122706455
(2R,5S)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo(3.1.0)hexan-2-ol
CID 6428435
Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1alpha,3alpha,5alpha)]-(9CI)
CID 12315160

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol (CID 53360806) is (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol is CC(C)=CCC[C@H](C)[C@@]12CC[C@@H](O)[C@@H]1C2.
What is the InChIKey of (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol?
The InChIKey is YIWJDNVSSUOLEU-FQUUOJAGSA-N. The full InChI is InChI=1S/C14H24O/c1-10(2)5-4-6-11(3)14-8-7-13(15)12(14)9-14/h5,11-13,15H,4,6-9H2,1-3H3/t11-,12-,13+,14-/m0/s1.
What are the key properties of (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol?
(1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 53360806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).