2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol

C15H26O2 — CID 162675620

IUPAC2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol
SMILESC[C@@H]1/C=C/[C@H](C(C)(C)O)CC/C(CO)=C/CC1
InChIInChI=1S/C15H26O2/c1-12-5-4-6-13(11-16)8-10-14(9-7-12)15(2,3)17/h6-7,9,12,14,16-17H,4-5,8,10-11H2,1-3H3/b9-7+,13-6-/t12-,14-/m0/s1
InChIKeyBDULPBCKEVQRLE-POXPZTADSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds2

About 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol

2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol (PubChem CID 162675620) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol
PubChem CID162675620
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol
SMILESC[C@@H]1/C=C/[C@H](C(C)(C)O)CC/C(CO)=C/CC1
InChIInChI=1S/C15H26O2/c1-12-5-4-6-13(11-16)8-10-14(9-7-12)15(2,3)17/h6-7,9,12,14,16-17H,4-5,8,10-11H2,1-3H3/b9-7+,13-6-/t12-,14-/m0/s1
InChIKeyBDULPBCKEVQRLE-POXPZTADSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol?
The IUPAC name of 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol (CID 162675620) is 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol.
What is the SMILES notation for 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol?
The canonical SMILES for 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol is C[C@@H]1/C=C/[C@H](C(C)(C)O)CC/C(CO)=C/CC1.
What is the InChIKey of 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol?
The InChIKey is BDULPBCKEVQRLE-POXPZTADSA-N. The full InChI is InChI=1S/C15H26O2/c1-12-5-4-6-13(11-16)8-10-14(9-7-12)15(2,3)17/h6-7,9,12,14,16-17H,4-5,8,10-11H2,1-3H3/b9-7+,13-6-/t12-,14-/m0/s1.
What are the key properties of 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol?
2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol is sourced from PubChem (CID 162675620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).