(1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol

C16H26O — CID 11310877

IUPAC(1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCCC1=C[C@H](O)[C@H](C(C)C)[C@@]1(C)CC=C
InChIInChI=1S/C16H26O/c1-6-8-9-13-11-14(17)15(12(3)4)16(13,5)10-7-2/h6-7,11-12,14-15,17H,1-2,8-10H2,3-5H3/t14-,15-,16-/m0/s1
InChIKeyPYLDSPKANBQEKL-JYJNAYRXSA-N
MW234.38 g/mol
LogP4.11
Rot. Bonds6

About (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol

(1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 11310877) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol
PubChem CID11310877
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCCC1=C[C@H](O)[C@H](C(C)C)[C@@]1(C)CC=C
InChIInChI=1S/C16H26O/c1-6-8-9-13-11-14(17)15(12(3)4)16(13,5)10-7-2/h6-7,11-12,14-15,17H,1-2,8-10H2,3-5H3/t14-,15-,16-/m0/s1
InChIKeyPYLDSPKANBQEKL-JYJNAYRXSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(4R,5S)-5-methyl-4-propan-2-yl-5-prop-2-enylcyclopent-2-en-1-one
CID 131109256
cis-(2S,3S)-2-methyl-3-propan-2-yl-2-prop-2-enylcyclopentan-1-one
CID 11171336
(1R,2R,8aR)-8a-methyl-1-propan-2-yl-2,4,5,6,7,8-hexahydro-1H-azulen-2-ol
CID 101243398
trans-(2R,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 11229012
trans-(2S,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 10725788
cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 53381704
(3S,4R)-4-[(2R)-2-hydroxy-2-phenylethyl]-3-methyl-3-prop-2-enyloxetan-2-one
CID 102163320
5-methyl-2-propan-2-yl-1,3,5-tris(prop-2-enyl)cyclohexan-1-ol
CID 175534938
cis-(2R,3R)-2-but-3-enyl-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 11424115
2,4,8-trimethyl-7-(3-methylbutyl)-8-prop-2-enylbicyclo[4.2.0]octa-1,3,5-triene
CID 166467456
2,5-bis(but-3-enyl)furan
CID 10856026
(2R,3S)-hept-6-ene-2,3-diol
CID 102384670

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol (CID 11310877) is (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol is C=CCCC1=C[C@H](O)[C@H](C(C)C)[C@@]1(C)CC=C.
What is the InChIKey of (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is PYLDSPKANBQEKL-JYJNAYRXSA-N. The full InChI is InChI=1S/C16H26O/c1-6-8-9-13-11-14(17)15(12(3)4)16(13,5)10-7-2/h6-7,11-12,14-15,17H,1-2,8-10H2,3-5H3/t14-,15-,16-/m0/s1.
What are the key properties of (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol?
(1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R)-3-but-3-enyl-4-methyl-5-propan-2-yl-4-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 11310877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).