(3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol

C17H30O3 — CID 58077715

IUPAC(3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol
SMILESC=C(C)C(C)C[C@H](O)CCC1O[C@@H](CCCO)CC1=C
InChIInChI=1S/C17H30O3/c1-12(2)13(3)10-15(19)7-8-17-14(4)11-16(20-17)6-5-9-18/h13,15-19H,1,4-11H2,2-3H3/t13?,15-,16+,17?/m1/s1
InChIKeyDBPLRNFCLXAFAV-YTWPKEEVSA-N
MW282.42 g/mol
LogP3.22
Rot. Bonds9

About (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol

(3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol (PubChem CID 58077715) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol.

Molecular Properties

Compound Name(3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol
PubChem CID58077715
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol
SMILESC=C(C)C(C)C[C@H](O)CCC1O[C@@H](CCCO)CC1=C
InChIInChI=1S/C17H30O3/c1-12(2)13(3)10-15(19)7-8-17-14(4)11-16(20-17)6-5-9-18/h13,15-19H,1,4-11H2,2-3H3/t13?,15-,16+,17?/m1/s1
InChIKeyDBPLRNFCLXAFAV-YTWPKEEVSA-N
XLogP3.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 131753009
CID 131753009
CID 71508216
CID 71508216
CID 71718554
CID 71718554
CID 139254393
CID 139254393
CID 176427701
CID 176427701
CID 178416724
CID 178416724
CID 162934688
CID 162934688
CID 11030241
CID 11030241
CID 18716213
CID 18716213
CID 20531628
CID 20531628
CID 53738936
CID 53738936
CID 57815612
CID 57815612

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol?
The IUPAC name of (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol (CID 58077715) is (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol.
What is the SMILES notation for (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol?
The canonical SMILES for (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol is C=C(C)C(C)C[C@H](O)CCC1O[C@@H](CCCO)CC1=C.
What is the InChIKey of (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol?
The InChIKey is DBPLRNFCLXAFAV-YTWPKEEVSA-N. The full InChI is InChI=1S/C17H30O3/c1-12(2)13(3)10-15(19)7-8-17-14(4)11-16(20-17)6-5-9-18/h13,15-19H,1,4-11H2,2-3H3/t13?,15-,16+,17?/m1/s1.
What are the key properties of (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol?
(3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol has a molecular weight of 282.42 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol is sourced from PubChem (CID 58077715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).