(3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol

C19H28O2 — CID 10880742

IUPAC(3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol
SMILESC=CCC[C@H](/C=C\C[C@H](O)C(C)C)OCc1ccccc1
InChIInChI=1S/C19H28O2/c1-4-5-12-18(13-9-14-19(20)16(2)3)21-15-17-10-7-6-8-11-17/h4,6-11,13,16,18-20H,1,5,12,14-15H2,2-3H3/b13-9-/t18-,19+/m1/s1
InChIKeyJMAWOVUMOGECBI-SHDPZIPESA-N
MW288.43 g/mol
LogP4.50
Rot. Bonds10

About (3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol

(3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol (PubChem CID 10880742) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol.

Molecular Properties

Compound Name(3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol
PubChem CID10880742
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol
SMILESC=CCC[C@H](/C=C\C[C@H](O)C(C)C)OCc1ccccc1
InChIInChI=1S/C19H28O2/c1-4-5-12-18(13-9-14-19(20)16(2)3)21-15-17-10-7-6-8-11-17/h4,6-11,13,16,18-20H,1,5,12,14-15H2,2-3H3/b13-9-/t18-,19+/m1/s1
InChIKeyJMAWOVUMOGECBI-SHDPZIPESA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 102264059
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
(3R)-3-phenylmethoxyhept-6-en-1-ol
CID 70676356
(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol
CID 14764351
benzyl 2-methylhex-5-enoate
CID 14713099
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
3-phenylmethoxyhex-4-en-1-ol
CID 71334809
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
(5E)-2-methyldeca-5,9-diene-3,7-diol
CID 165357860
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol
CID 11150405
[(Z)-1-phenylhex-4-en-3-yl]oxymethylbenzene
CID 23649924

Frequently Asked Questions

What is the IUPAC name of (3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol?
The IUPAC name of (3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol (CID 10880742) is (3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol.
What is the SMILES notation for (3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol?
The canonical SMILES for (3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol is C=CCC[C@H](/C=C\C[C@H](O)C(C)C)OCc1ccccc1.
What is the InChIKey of (3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol?
The InChIKey is JMAWOVUMOGECBI-SHDPZIPESA-N. The full InChI is InChI=1S/C19H28O2/c1-4-5-12-18(13-9-14-19(20)16(2)3)21-15-17-10-7-6-8-11-17/h4,6-11,13,16,18-20H,1,5,12,14-15H2,2-3H3/b13-9-/t18-,19+/m1/s1.
What are the key properties of (3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol?
(3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol has a molecular weight of 288.43 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol is sourced from PubChem (CID 10880742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).