(1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane

C15H26 — CID 164667457

IUPAC(1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane
SMILESCC(C)=CCC[C@H](C)[C@@]12CCC(C)[C@@H]1C2
InChIInChI=1S/C15H26/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,12-14H,5,7-10H2,1-4H3/t12?,13-,14-,15-/m0/s1
InChIKeyFSOQAXGMKHXGRY-WLUIXCMPSA-N
MW206.37 g/mol
LogP4.81
Rot. Bonds4

About (1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane

(1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane (PubChem CID 164667457) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane
PubChem CID164667457
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane
SMILESCC(C)=CCC[C@H](C)[C@@]12CCC(C)[C@@H]1C2
InChIInChI=1S/C15H26/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,12-14H,5,7-10H2,1-4H3/t12?,13-,14-,15-/m0/s1
InChIKeyFSOQAXGMKHXGRY-WLUIXCMPSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane
CID 91753589
(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
(10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 90886891
(4S,4aR)-4a,7,8-trimethyl-4-(6-methylhept-5-en-2-yl)-3,4,5,6,7,8-hexahydro-2H-quinoline
CID 10851010
(Z,6R)-2-methyl-6-[(1S,5S)-4-methylidene-1-bicyclo[3.1.0]hexanyl]hept-2-en-1-ol
CID 24796073
(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
CID 57387115
2-methyl-4-(5-propan-2-yl-2-bicyclo[3.1.0]hexanyl)but-2-enal
CID 177163973
(3S,4S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 68830185
4,10,13-trimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 534942
(1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol
CID 162933798
1,6-dimethyl-4-(6-methylhept-5-en-2-yl)-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 14707361
10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
CID 13083456

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane?
The IUPAC name of (1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane (CID 164667457) is (1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane is CC(C)=CCC[C@H](C)[C@@]12CCC(C)[C@@H]1C2.
What is the InChIKey of (1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane?
The InChIKey is FSOQAXGMKHXGRY-WLUIXCMPSA-N. The full InChI is InChI=1S/C15H26/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,12-14H,5,7-10H2,1-4H3/t12?,13-,14-,15-/m0/s1.
What are the key properties of (1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane?
(1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane has a molecular weight of 206.37 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane is sourced from PubChem (CID 164667457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).