(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol

C30H48O2 — CID 118978202

IUPAC(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
SMILESC=C1[C@H]2CC[C@H](C2)[C@]1(C)CC/C=C(/C)CO.C=C1[C@H]2CC[C@H](C2)[C@]1(C)CC/C=C(/C)CO
InChIInChI=1S/2C15H24O/c2*1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h2*5,13-14,16H,2,4,6-10H2,1,3H3/b2*11-5-/t2*13-,14+,15+/m00/s1
InChIKeyLBZFQNPBZPDXCY-IPHHNRSZSA-N
MW440.71 g/mol
LogP7.40
Rot. Bonds8

About (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol

(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol (PubChem CID 118978202) has the molecular formula C30H48O2 and a molecular weight of 440.71 g/mol. Its IUPAC name is (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
PubChem CID118978202
Molecular FormulaC30H48O2
Molecular Weight440.71 g/mol
Exact Mass440.37
IUPAC Name(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
SMILESC=C1[C@H]2CC[C@H](C2)[C@]1(C)CC/C=C(/C)CO.C=C1[C@H]2CC[C@H](C2)[C@]1(C)CC/C=C(/C)CO
InChIInChI=1S/2C15H24O/c2*1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h2*5,13-14,16H,2,4,6-10H2,1,3H3/b2*11-5-/t2*13-,14+,15+/m00/s1
InChIKeyLBZFQNPBZPDXCY-IPHHNRSZSA-N
XLogP7.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.71
LogP ≤ 57.40
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 (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol?
The IUPAC name of (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol (CID 118978202) is (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol.
What is the SMILES notation for (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol?
The canonical SMILES for (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol is C=C1[C@H]2CC[C@H](C2)[C@]1(C)CC/C=C(/C)CO.C=C1[C@H]2CC[C@H](C2)[C@]1(C)CC/C=C(/C)CO.
What is the InChIKey of (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol?
The InChIKey is LBZFQNPBZPDXCY-IPHHNRSZSA-N. The full InChI is InChI=1S/2C15H24O/c2*1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h2*5,13-14,16H,2,4,6-10H2,1,3H3/b2*11-5-/t2*13-,14+,15+/m00/s1.
What are the key properties of (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol?
(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol has a molecular weight of 440.71 g/mol, XLogP of 7.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol is sourced from PubChem (CID 118978202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).