(E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol

C15H28O2 — CID 139588180

IUPAC(E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol
SMILESC=C(/C=C/C(CC[C@H](C)O)C(C)C)CCCO
InChIInChI=1S/C15H28O2/c1-12(2)15(10-8-14(4)17)9-7-13(3)6-5-11-16/h7,9,12,14-17H,3,5-6,8,10-11H2,1-2,4H3/b9-7+/t14-,15?/m0/s1
InChIKeyILTLDBNFZKICNW-GNDWBSHZSA-N
MW240.39 g/mol
LogP3.30
Rot. Bonds9

About (E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol

(E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol (PubChem CID 139588180) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol.

Molecular Properties

Compound Name(E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol
PubChem CID139588180
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol
SMILESC=C(/C=C/C(CC[C@H](C)O)C(C)C)CCCO
InChIInChI=1S/C15H28O2/c1-12(2)15(10-8-14(4)17)9-7-13(3)6-5-11-16/h7,9,12,14-17H,3,5-6,8,10-11H2,1-2,4H3/b9-7+/t14-,15?/m0/s1
InChIKeyILTLDBNFZKICNW-GNDWBSHZSA-N
XLogP3.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dehydrodihydroionol
CID 62126
4,8-Dimethyl-7-nonen-2-ol
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CID 5319361
1beta-Hydroxy-4(15),5E,10(14)-germacratriene
CID 643709
alpha-Ethyl-2,4-dimethyl-3-cyclohexene-1-methanol
CID 118112370
Bisacurol
CID 14287403
4,10-Dimethylidene-7-(propan-2-yl)cyclodec-5-en-1-ol
CID 71370041
cis-1(7),5-p-Menthadien-2-ol
CID 91753261
5-(6-Methylhept-5-en-2-yl)-2-methylidenecyclohex-3-en-1-ol
CID 71444825
trans-4-(1-Methylethyl)-2-cyclohexen-1-ol
CID 149853
Germacra-4(15),5,10(14)-trien-1alpha-ol
CID 13304977
(1R,5E,7R)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol
CID 13304976

Frequently Asked Questions

What is the IUPAC name of (E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol?
The IUPAC name of (E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol (CID 139588180) is (E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol.
What is the SMILES notation for (E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol?
The canonical SMILES for (E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol is C=C(/C=C/C(CC[C@H](C)O)C(C)C)CCCO.
What is the InChIKey of (E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol?
The InChIKey is ILTLDBNFZKICNW-GNDWBSHZSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)15(10-8-14(4)17)9-7-13(3)6-5-11-16/h7,9,12,14-17H,3,5-6,8,10-11H2,1-2,4H3/b9-7+/t14-,15?/m0/s1.
What are the key properties of (E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol?
(E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol has a molecular weight of 240.39 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R,10S)-4-methylidene-7-propan-2-ylundec-5-ene-1,10-diol is sourced from PubChem (CID 139588180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).