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

C15H24 — CID 91753589

IUPAC(1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane
SMILESC=C1CC[C@@]2([C@H](C)CCC=C(C)C)C[C@@H]12
InChIInChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1
InChIKeyDYUSFBWNOCHOFP-ILXRZTDVSA-N
MW204.36 g/mol
LogP4.73
Rot. Bonds4

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

(1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane (PubChem CID 91753589) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane
PubChem CID91753589
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane
SMILESC=C1CC[C@@]2([C@H](C)CCC=C(C)C)C[C@@H]12
InChIInChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1
InChIKeyDYUSFBWNOCHOFP-ILXRZTDVSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.73
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

(Z,6R)-2-methyl-6-[(1S,5S)-4-methylidene-1-bicyclo[3.1.0]hexanyl]hept-2-en-1-ol
CID 24796073
[2-methyl-6-(4-methylidene-1-bicyclo[3.1.0]hexanyl)hept-2-enyl] acetate
CID 162902767
(1S,5S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexane
CID 164667457
(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 102426665
(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 11106487
5-methyl-4-(6-methylhept-5-en-2-yl)-8-methylidenetricyclo[7.5.0.01,5]tetradec-12-ene-12-carboxylic acid
CID 163093700
7-methyl-3-propan-2-ylocta-1,6-diene
CID 59961464
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 175675689
4,12-dihydroxy-1,4-dimethyl-12-(6-methylhept-5-en-2-yl)-6-oxotricyclo[9.3.0.03,7]tetradec-8-ene-8-carbaldehyde
CID 76521997
6,15-dihydroxy-3,15-dimethyl-6-(6-methylhept-5-en-2-yl)-12-oxatetracyclo[8.5.1.03,7.013,16]hexadec-9-en-11-one
CID 85115403
(1R,3S,7R,11R,12S)-12-[[(1S,3R,6S,7R,11R)-10-formyl-3,14-dimethyl-6-[(2S)-6-methylhept-5-en-2-yl]-12-oxo-6-tricyclo[9.3.0.03,7]tetradeca-9,13-dienyl]oxy]-1,4-dimethyl-12-[(2S)-6-methylhept-5-en-2-yl]-6-oxotricyclo[9.3.0.03,7]tetradeca-4,8-diene-8-carbaldehyde
CID 163104079
(1R,3aS,4R,5S,8aR)-3-methyl-5-[(2R)-6-methylhept-5-en-2-yl]-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulene-1,4-diol
CID 101316750

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane?
The IUPAC name of (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane (CID 91753589) is (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane is C=C1CC[C@@]2([C@H](C)CCC=C(C)C)C[C@@H]12.
What is the InChIKey of (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane?
The InChIKey is DYUSFBWNOCHOFP-ILXRZTDVSA-N. The full InChI is InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1.
What are the key properties of (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane?
(1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane has a molecular weight of 204.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1-[(2R)-6-methylhept-5-en-2-yl]-4-methylidenebicyclo[3.1.0]hexane is sourced from PubChem (CID 91753589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).